From e40ddfc9dabde6200be2dde3272ea0f2dabbbddd Mon Sep 17 00:00:00 2001
From: Hashim Khan <64767361+Hashim1999164@users.noreply.github.com>
Date: Thu, 13 Aug 2026 03:59:24 +0500
Subject: [PATCH] docs: use .traj for traj2dcd --input example

The post-analysis section already says trajectories are ASE .traj files, but the example passed a .pdb path to --input. Use xxx.traj for --input and keep --pdb as the reference structure.
---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index f70c821..476421f 100644
--- a/README.md
+++ b/README.md
@@ -242,7 +242,7 @@ chmod +x ai2bmd
 The format of the simulation trajectory is `.traj` of ASE format. To convert it to `.dcd` format for visualization, you can install MDAnalysis first and take `src/utils/traj2dcd.py` as reference with the following commands:
 
 ```shell
-python traj2dcd.py --input xxx.pdb --output xxx.dcd --pdb xxx.pdb --num-atoms nnn --stride nnn
+python traj2dcd.py --input xxx.traj --output xxx.dcd --pdb xxx.pdb --num-atoms nnn --stride nnn
 
 # arguments
 # --input         The name of the input trajectory file